copper; 4-[[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]-N-pyrimidin-2-yl-benzenesulfonamide

Systemtic Name: copper; 4-[[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]-N-pyrimidin-2-yl-benzenesulfonamide Openeye Name: copper; 4-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-N-pyrimidin-2-yl-benzenesulfonamide CAS Name: copper; 4-[[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]-N-(2-pyrimidinyl)benzenesulfonamide IUPAC Name: copper; 4-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-N-pyrimidin-2-ylbenzenesulfonamide Traditional Name: copper; 4-[[(E)-(6-ketocyclohexa-2,4-dien-1-ylidene)methyl]amino]-N-(2-pyrimidyl)benzenesulfonamide Formula: C34H28CuN8O6S2 MolecularWeight: 772.31212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CNC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C(=O)C=C1.C1=CC(=CNC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C(=O)C=C1.[Cu]

Isomeric SMILES

C1=C/C(=C\NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)/C(=O)C=C1.C1=C/C(=C\NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)/C(=O)C=C1.[Cu]

InChI

InChI=1S/2C17H14N4O3S.Cu/c2*22-16-5-2-1-4-13(16)12-20-14-6-8-15(9-7-14)25(23,24)21-17-18-10-3-11-19-17;/h2*1-12,20H,(H,18,19,21);/b2*13-12+;